diethyl 5-[2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[(2-chloro-5-nitro-benzyl)-methyl-amino]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H24ClN3O7S MolecularWeight: 497.94916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H24ClN3O7S/c1-5-31-20(27)17-12(3)18(21(28)32-6-2)33-19(17)23-16(26)11-24(4)10-13-9-14(25(29)30)7-8-15(13)22/h7-9H,5-6,10-11H2,1-4H3,(H,23,26)